UCSF

ZINC37843380

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 3.07 -12.05 2 4 0 66 299.779 5
Hi High (pH 8-9.5) 2.94 3.14 -44.08 1 4 -1 68 298.771 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )